SCHEMBL1848809

SCHEMBL1848809

Cn1cc(-c2c[nH]c3ncc(C4CCCCC4)nc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
JAK3 P52333 4/20 0.50
CREBBP Q92793 3/20 0.48
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
CDC42BPB Q9Y5S2 1/20 0.45
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
LRRK2 Q5S007 6/20 0.44
AXL P30530 1/20 0.44
MAPK8 P45983 2/20 0.43
MAPK9 P45984 2/20 0.43
MAPK10 P53779 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31060275 1.00 MAPK1 (0.60) MAPK1JAK3CREBBPROCK2ROCK1
SCHEMBL2277933 0.82 MAPK8 (0.67) MAPK1JAK3CREBBPLRRK2MAPK8
SCHEMBL2277936 0.82 MAPK8 (0.67) MAPK1JAK3CREBBPLRRK2MAPK8
SCHEMBL19657749 0.80 MAPK1 (0.64) MAPK1JAK3CREBBPROCK2ROCK1
SCHEMBL19657316 0.79 MAPK1 (0.67) MAPK1JAK3CREBBPROCK2ROCK1
SCHEMBL12404250 0.76 CREBBP (0.44) CREBBPAXL
SCHEMBL2754364 0.76 MAPK8 (0.69) MAPK1CREBBPROCK2ROCK1CDC42BPB
SCHEMBL2753669 0.76 MAPK8 (0.69) MAPK1CREBBPROCK2ROCK1CDC42BPB
SCHEMBL1849841 0.76 MAPK1 (0.80) MAPK1JAK3CREBBP
SCHEMBL22822285 0.75 MAPK1 (0.61) MAPK1JAK3CREBBPROCK2ROCK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011529952-A 2011-12-15 JP claimed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US claimed
EP-2324021-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2011-05-25 EP claimed
WO-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 WO claimed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
EP-2324021-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2011-05-25 EP disclosed
WO-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 WO disclosed
WO-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE DAPK1, DAPK2, DAPK3 MAPK1 21/4885JAK3 282/4885CREBBP 359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.